9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole

C36H25N — CID 118490775

IUPAC9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)C2C=C1
InChIInChI=1S/C36H25N/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37/h1-23,32,35H
InChIKeyBHKVMSONKXJZPO-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.54
Rot. Bonds2

About 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole

9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole (PubChem CID 118490775) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
PubChem CID118490775
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)C2C=C1
InChIInChI=1S/C36H25N/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37/h1-23,32,35H
InChIKeyBHKVMSONKXJZPO-UHFFFAOYSA-N
XLogP9.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
6-[3-[4-[7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075493
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437

Frequently Asked Questions

What is the IUPAC name of 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole (CID 118490775) is 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole is C1=CC2c3ccccc3N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)C2C=C1.
What is the InChIKey of 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole?
The InChIKey is BHKVMSONKXJZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)34-23-25(19-22-31(29)34)24-17-20-26(21-18-24)37-35-15-7-5-13-32(35)33-14-6-8-16-36(33)37/h1-23,32,35H.
What are the key properties of 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole?
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole has a molecular weight of 471.60 g/mol, XLogP of 9.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 118490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).